CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries,
but each of them failed. CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with
--mca mpi_cuda_support 0 to suppress this message. If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
Processor 1 out of 4 rank in CG_COMM 1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 2 out of 4 rank in CG_COMM 2
Processor 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 1 0 0 ivec_start 1
ivec_end 21
MPI: node= 0 iseed= -3059742
MPI: node= 2 iseed= -9179228
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Processor 2 0 0 ivec_start 1
ivec_end 21
Processor 0 0 0 ivec_start 1
ivec_end 21
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
[dell15:68021] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:68021] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 41.13739204406738
End of minim, proc 3 time 41.14059400558472
End of cycle, master time for 28 iters 41.14462113380432
End of minim, proc 2 time 41.15163612365723
sec, Eval/s 13178.56344421428
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 80.91883587837219
End of minim, proc 3 time 80.92178916931152
End of cycle, master time for 22 iters 36.37572503089905
sec, Eval/s 12107.55248523261
End of minim, proc 2 time 80.92613506317139
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
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UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of cycle, master time for 21 iters 39.13615107536316
sec, Eval/s 10946.32426104065
End of minim, proc 1 time 124.2347018718719
End of minim, proc 3 time 124.2346990108490
End of minim, proc 2 time 124.2347409725189
UPDATING 3 4
Exitted from make_ranvar nconfr= 100
FEEDIN: NCONF= 100
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 1 time 138.1168639659882
End of minim, proc 2 time 138.1170549392700
End of minim, proc 3 time 138.1314301490784
End of cycle, master time for 5 iters 9.568138122558594
sec, Eval/s 11305.64782974448
UPDATING 3 4
End of RUN, master time 138.1336271762848 sec, Eval/s
11981.64439631936
CG processor 1 is finishing work.
CG processor 3 is finishing work.
CG processor 0 is finishing work.
CG processor 2 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin= -200.13486
Emin= -200.13486
Emin= -200.13486
Emin= -200.13486
difference 0 from reference emin -200.13486
difference 0 from reference emin -200.13486
difference 0 from reference emin -200.13486
difference 0 from reference emin -200.13486
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64706 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 81297 m 90 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153682 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162965 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184900 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241420 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 254131 m 644 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 264499 m 689 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 294434 m 792 rms 2.55 %NC 46.7 ENERGY -1.98938E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 313250 m 862 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316732 m 881 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 336073 m 953 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 365346 m 1047 rms 2.13 %NC 53.3 ENERGY -1.99546E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 366115 m 1049 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386587 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390810 m 1133 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413596 m 1219 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 507866 m 1555 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 568151 m 1766 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 654871 m 1892 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 970185 m 2806 rms 3.28 %NC 46.7 ENERGY -1.99796E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 987008 m 2864 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 987191 m 2865 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 993088 m 2887 rms 3.38 %NC 46.7 ENERGY -1.99853E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1006665 m 2930 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1009947 m 2942 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1013701 m 2955 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1020270 m 2983 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1052382 m 3081 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1072768 m 3148 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1140865 m 3201 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64706 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 81297 m 90 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153682 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162965 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184900 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241420 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 254131 m 644 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 264499 m 689 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 294434 m 792 rms 2.55 %NC 46.7 ENERGY -1.98938E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 313250 m 862 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316732 m 881 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 336073 m 953 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 365346 m 1047 rms 2.13 %NC 53.3 ENERGY -1.99546E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 366115 m 1049 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386587 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390810 m 1133 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413596 m 1219 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 507866 m 1555 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 568151 m 1766 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 654871 m 1892 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 970185 m 2806 rms 3.28 %NC 46.7 ENERGY -1.99796E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 987008 m 2864 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 987191 m 2865 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 993088 m 2887 rms 3.38 %NC 46.7 ENERGY -1.99853E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1006665 m 2930 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1009947 m 2942 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1013701 m 2955 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1020270 m 2983 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1052382 m 3081 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1072768 m 3148 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1140865 m 3201 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64706 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 81297 m 90 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153682 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162965 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184900 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241420 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 254131 m 644 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 264499 m 689 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 294434 m 792 rms 2.55 %NC 46.7 ENERGY -1.98938E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 313250 m 862 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316732 m 881 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 336073 m 953 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 365346 m 1047 rms 2.13 %NC 53.3 ENERGY -1.99546E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 366115 m 1049 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386587 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390810 m 1133 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413596 m 1219 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 507866 m 1555 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 568151 m 1766 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 654871 m 1892 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 970185 m 2806 rms 3.28 %NC 46.7 ENERGY -1.99796E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 987008 m 2864 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 987191 m 2865 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 993088 m 2887 rms 3.38 %NC 46.7 ENERGY -1.99853E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1006665 m 2930 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1009947 m 2942 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1013701 m 2955 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1020270 m 2983 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1052382 m 3081 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1072768 m 3148 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1140865 m 3201 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@001.pdb:REMARK GM 1 e 5204 m 1 rms 2.63 %NC 46.7 ENERGY -1.66323E+02
1l2y_csa_local_4P@002.pdb:REMARK GM 2 e 6239 m 2 rms 2.38 %NC 46.7 ENERGY -1.87312E+02
1l2y_csa_local_4P@003.pdb:REMARK GM 3 e 19250 m 5 rms 3.48 %NC 46.7 ENERGY -1.87711E+02
1l2y_csa_local_4P@004.pdb:REMARK GM 4 e 52275 m 20 rms 2.40 %NC 46.7 ENERGY -1.87758E+02
1l2y_csa_local_4P@005.pdb:REMARK GM 5 e 64706 m 50 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@006.pdb:REMARK GM 6 e 77487 m 78 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@007.pdb:REMARK GM 7 e 77615 m 79 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@008.pdb:REMARK GM 8 e 81297 m 90 rms 2.46 %NC 46.7 ENERGY -1.87972E+02
1l2y_csa_local_4P@009.pdb:REMARK GM 9 e 85227 m 105 rms 2.46 %NC 46.7 ENERGY -1.88323E+02
1l2y_csa_local_4P@010.pdb:REMARK GM 10 e 93504 m 136 rms 2.47 %NC 46.7 ENERGY -1.88418E+02
1l2y_csa_local_4P@011.pdb:REMARK GM 11 e 107153 m 186 rms 2.62 %NC 46.7 ENERGY -1.88657E+02
1l2y_csa_local_4P@012.pdb:REMARK GM 12 e 132371 m 256 rms 2.30 %NC 46.7 ENERGY -1.88697E+02
1l2y_csa_local_4P@013.pdb:REMARK GM 13 e 133903 m 259 rms 2.50 %NC 46.7 ENERGY -1.89893E+02
1l2y_csa_local_4P@014.pdb:REMARK GM 14 e 149678 m 306 rms 2.33 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@015.pdb:REMARK GM 15 e 153682 m 317 rms 2.31 %NC 46.7 ENERGY -1.90194E+02
1l2y_csa_local_4P@016.pdb:REMARK GM 16 e 161523 m 355 rms 2.32 %NC 46.7 ENERGY -1.90195E+02
1l2y_csa_local_4P@017.pdb:REMARK GM 17 e 162965 m 358 rms 2.58 %NC 53.3 ENERGY -1.91065E+02
1l2y_csa_local_4P@018.pdb:REMARK GM 18 e 184422 m 429 rms 2.52 %NC 53.3 ENERGY -1.91122E+02
1l2y_csa_local_4P@019.pdb:REMARK GM 19 e 184900 m 431 rms 2.56 %NC 46.7 ENERGY -1.91440E+02
1l2y_csa_local_4P@020.pdb:REMARK GM 20 e 209634 m 499 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@021.pdb:REMARK GM 21 e 235428 m 588 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@022.pdb:REMARK GM 22 e 241420 m 609 rms 2.86 %NC 53.3 ENERGY -1.96742E+02
1l2y_csa_local_4P@023.pdb:REMARK GM 23 e 254131 m 644 rms 2.28 %NC 46.7 ENERGY -1.96995E+02
1l2y_csa_local_4P@024.pdb:REMARK GM 24 e 264499 m 689 rms 2.32 %NC 46.7 ENERGY -1.97713E+02
1l2y_csa_local_4P@025.pdb:REMARK GM 25 e 294434 m 792 rms 2.55 %NC 46.7 ENERGY -1.98938E+02
1l2y_csa_local_4P@026.pdb:REMARK GM 26 e 313250 m 862 rms 2.55 %NC 46.7 ENERGY -1.98939E+02
1l2y_csa_local_4P@027.pdb:REMARK GM 27 e 316732 m 881 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@028.pdb:REMARK GM 28 e 336073 m 953 rms 2.55 %NC 46.7 ENERGY -1.98940E+02
1l2y_csa_local_4P@029.pdb:REMARK GM 29 e 365346 m 1047 rms 2.13 %NC 53.3 ENERGY -1.99546E+02
1l2y_csa_local_4P@030.pdb:REMARK GM 30 e 366115 m 1049 rms 2.13 %NC 53.3 ENERGY -1.99553E+02
1l2y_csa_local_4P@031.pdb:REMARK GM 31 e 386587 m 1122 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@032.pdb:REMARK GM 32 e 390810 m 1133 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@033.pdb:REMARK GM 33 e 413596 m 1219 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@034.pdb:REMARK GM 34 e 507866 m 1555 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@035.pdb:REMARK GM 35 e 568151 m 1766 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@036.pdb:REMARK GM 36 e 654871 m 1892 rms 2.13 %NC 53.3 ENERGY -1.99556E+02
1l2y_csa_local_4P@037.pdb:REMARK GM 37 e 970185 m 2806 rms 3.28 %NC 46.7 ENERGY -1.99796E+02
1l2y_csa_local_4P@038.pdb:REMARK GM 38 e 987008 m 2864 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@039.pdb:REMARK GM 39 e 987191 m 2865 rms 3.28 %NC 46.7 ENERGY -1.99801E+02
1l2y_csa_local_4P@040.pdb:REMARK GM 40 e 993088 m 2887 rms 3.38 %NC 46.7 ENERGY -1.99853E+02
1l2y_csa_local_4P@041.pdb:REMARK GM 41 e 1006665 m 2930 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@042.pdb:REMARK GM 42 e 1009947 m 2942 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@043.pdb:REMARK GM 43 e 1013701 m 2955 rms 3.38 %NC 46.7 ENERGY -1.99854E+02
1l2y_csa_local_4P@044.pdb:REMARK GM 44 e 1020270 m 2983 rms 3.39 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@045.pdb:REMARK GM 45 e 1052382 m 3081 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@046.pdb:REMARK GM 46 e 1072768 m 3148 rms 3.38 %NC 46.7 ENERGY -2.00135E+02
1l2y_csa_local_4P@047.pdb:REMARK GM 47 e 1140865 m 3201 rms 3.38 %NC 46.7 ENERGY -2.00135E+02